N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide

C9H13NO4S — CID 81258228

IUPACN-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCCO)c1
InChIInChI=1S/C9H13NO4S/c1-14-8-3-2-4-9(7-8)15(12,13)10-5-6-11/h2-4,7,10-11H,5-6H2,1H3
InChIKeyPGOAFTYODORTPZ-UHFFFAOYSA-N
MW231.27 g/mol
LogP-0.03
Rot. Bonds5

About N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide

N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide (PubChem CID 81258228) has the molecular formula C9H13NO4S and a molecular weight of 231.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
PubChem CID81258228
Molecular FormulaC9H13NO4S
Molecular Weight231.27 g/mol
Exact Mass231.06
IUPAC NameN-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCCO)c1
InChIInChI=1S/C9H13NO4S/c1-14-8-3-2-4-9(7-8)15(12,13)10-5-6-11/h2-4,7,10-11H,5-6H2,1H3
InChIKeyPGOAFTYODORTPZ-UHFFFAOYSA-N
XLogP-0.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-but-3-ynyl-3-methoxybenzenesulfonamide
CID 90537996
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid
CID 107835264
N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide
CID 81259105
6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid
CID 68502210
3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 81259985
ethyl 4-[(3-methoxyphenyl)sulfonylamino]butanoate
CID 81259857
N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-methoxybenzenesulfonamide
CID 90524149
N-[2-(3-methoxyphenoxy)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 34111480
N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide
CID 115271577
methyl 3-[2-(3-methoxyphenoxy)ethylsulfamoyl]benzoate
CID 34111692
N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 91631210

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide (CID 81258228) is N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)NCCO)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide?
The InChIKey is PGOAFTYODORTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S/c1-14-8-3-2-4-9(7-8)15(12,13)10-5-6-11/h2-4,7,10-11H,5-6H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide?
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide has a molecular weight of 231.27 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81258228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).